BU 4794F
TL;DR: BU 4794F (CAS 151013-36-4) is a chemical compound with molecular formula C45H58O16 and molecular weight 854.3725 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(3S,3'R,4'R)-5'-[(2S,3R,4S,5R)-6-[[(2E,4E,6E)-deca-2,4,6-trienoyl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-3',4,6-trihydroxy-6'-(hydroxymethyl)spiro[1H-2-benzofuran-3,2'-oxane]-4'-yl] (2E,4E,8E,10E,12E)-7-hydroxyhexadeca-2,4,8,10,12-pentaenoate
Also Known As: BU 4794F, BU-4794F, [(3S,3'R,4'R)-5'-[(2S,3R,4S,5R)-6-[[(2E,4E,6E)-deca-2,4,6-trienoyl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-3',4,6-trihydroxy-6'-(hydroxymethyl)spiro[1H-2-benzofuran-3,2'-oxane]-4'-yl] (2E,4E,8E,10E,12E)-7-hydroxyhexadeca-2,4,8,10,12-pentaenoate, [(3S,3'R,4'R)-5'-[(2S,3R,4S,5R)-6-[[(2E,4E,6E)-deca-2,4,6-trienoyl]oxymethyl]-3,4,5-trihydroxy-tetrahydropyran-2-yl]oxy-3',4,6-trihydroxy-6'-(hydroxymethyl)spiro[1H-isobenzofuran-3,2'-tetrahydropyran]-4'-yl] (2E,4E,8E,10E,12E)-7-hydroxyhexadeca-2,4,8,10,12-pentaenoate, Hexopyranoside, 3',4',5',6'-tetrahydro-3',5,7-trihydroxy-6'-(hydroxymethyl)-4'-[(7-hydroxy-1-oxo-2,4,8,10,12-hexadecapentaenyl)oxy]spiro[isobenzofuran-1(3H),2'-[2H]pyran]-5'-yl,6-(2,4,6-decatrienoate)
Technical Specifications
| Molecular Formula | C45H58O16 |
| Molecular Weight | 854.3725 g/mol |
| XLogP | 3.5 |
| Topological Polar Surface Area (TPSA) | 251.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 22 |
| Exact Mass | 854.3725 Da |
| Heavy Atoms | 61 |
| Complexity | 1600.0 |
| SMILES | CCC/C=C/C=C/C=C/C(C/C=C/C=C/C(=O)O[C@@H]1[C@H]([C@]2(C3=C(CO2)C=C(C=C3O)O)OC(C1O[C@H]4[C@@H]([C@H]([C@H](C(O4)COC(=O)/C=C/C=C/C=C/CCC)O)O)O)CO)O)O |
| InChIKey | JSBUKGAJQOVJAQ-OPRWIHDJSA-N |
Chemical Property Profile of BU 4794F
Property Insights of BU 4794F
The XLogP value of 3.5 indicates that BU 4794F is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 251.0 Ų indicates high polarity, suggesting BU 4794F may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, BU 4794F has 8 hydrogen bond donor(s) and 16 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of BU 4794F?
The CAS number of BU 4794F is 151013-36-4.
What is the molecular formula of BU 4794F?
The molecular formula of BU 4794F is C45H58O16.
What is the molecular weight of BU 4794F?
The molecular weight of BU 4794F is 854.3725 g/mol.
Where can I buy BU 4794F?
You can request a quote for BU 4794F directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for BU 4794F?
Yes, CoreyChem provides custom synthesis services for BU 4794F and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.